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Substance Name: Betahistine [INN:BAN]
RN: 5638-76-6
UNII: X32KK4201D
InChIKey: UUQMNUMQCIQDMZ-UHFFFAOYSA-N

Note

  • A histamine analog and H1 receptor agonist that serves as a vasodilator. It is used in MENIERE DISEASE and in vascular headaches but may exacerbate bronchial asthma and peptic ulcers.

Molecular Formula

  • C8-H12-N2

Molecular Weight

  • 136.1968
 

Classification Codes

  • Cardiovascular Agents
  • Histamine Agents
  • Histamine Agonists
  • Neurotransmitter Agents
  • Vasodilator Agents
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Names and Synonyms

Name of Substance

  • Betahistine
  • Betahistine [INN:BAN]

MeSH Heading

  • Betahistine

Synonyms

  • (2-(2-Pyridyl)ethyl)methylamine
  • 2-(2-(Methylamino)ethyl)pyridine
  • 5-22-09-00368 (Beilstein Handbook Reference)
  • beta-Histine
  • Betahistina
  • Betahistina [INN-Spanish]
  • Betahistine
  • Betahistinum
  • Betahistinum [INN-Latin]
  • Betaistina
  • Betaistina [DCIT]
  • BRN 0112294
  • EC 227-086-4
  • EINECS 227-086-4
  • N-Methyl-2-pyridineethanamine
  • N-Methyl-2-pyridineethylamine
  • N-Methyl-N-beta-(2-pyridyl)ethylamine
  • NSC 42617
  • PT 9 base
  • Pyridine, 2-(2-methylaminoethyl)-
  • Serc base
  • Sinmenier (free base)
  • UNII-X32KK4201D
  • Vasomotal

Systematic Names

  • 2-Pyridineethanamine, N-methyl-
  • Betahistine
  • Pyridine, 2-(2-(methylamino)ethyl)-

Registry Numbers

CAS Registry Number

  • 5638-76-6

FDA UNII

  • X32KK4201D

Related Registry Numbers

  • 54856-23-4 (mesylate)
  • 5579-84-0 (di-hydrochloride)

System Generated Number

  • 0005638766

Structure Descriptors

InChI

1S/C8H12N2/c1-9-7-5-8-4-2-3-6-10-8/h2-4,6,9H,5,7H2,1H3

InChIKey

UUQMNUMQCIQDMZ-UHFFFAOYSA-N

Smiles

CNCCc1ccccn1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 320mg/kg (320mg/kg)   Problemi na Farmatsiyata. Problems in Pharmacy. Vol. 13, Pg. 63, 1985.
mouse LD50 oral 2920mg/kg (2920mg/kg)   Problemi na Farmatsiyata. Problems in Pharmacy. Vol. 13, Pg. 63, 1985.
rat LD50 intraperitoneal 980mg/kg (980mg/kg)   Problemi na Farmatsiyata. Problems in Pharmacy. Vol. 13, Pg. 63, 1985.
rat LD50 oral 6110mg/kg (6110mg/kg)   Problemi na Farmatsiyata. Problems in Pharmacy. Vol. 13, Pg. 63, 1985.

Physical Properties

Physical Property Value Units Temp (deg C) Source
pKa Dissociation Constant 10.13 (none) 10 EXP
log P (octanol-water) 0.68 (none)   EXP
Water Solubility 1.00E+06 mg/L 25 EST
Vapor Pressure 0.133 mm Hg 25 EST
Henry's Law Constant 2.33E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.70E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.